Therapeutic Targets Database
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TTD Drug ID: DAP001386

Drug Information
NameGanirelix
SynonymsD08010; Orgalutran (TN); 123246-29-7; Ganirelix; 124904-93-4; Ganirelixum [INN-Latin]; RS-26306; Orgalutran; LS-187280; D-Alaninamide, N-acetyl-3-(1-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N6-(bis(ethylamino)methylene)-D-lysyl-L-leucyl-N6-(bis(ethylamino)methylene)-L-lysyl-L-prolyl-; Ganirelix acetate; Ganirelixum; CHEBI:336376; UNII-IX503L9WN0; LS-181948; Ganirelix (INN); CHEMBL1251; Ganirelix [INN:BAN]
Trade NameAntagon
CompanyOrganon International
IndicationRegulates Ovulation
[ICD9: 256   ICD10: E28]
Approved    [1]
Structure

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InChI1S/C80H113ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94
-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(1
12)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-
30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-1
9-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)6
3(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21
-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43
-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105
)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(
H2,86,87,89)/t50-,60-,61+,62+,63?,64-,65+,66+,67-,68?/m1/s1
InChIKeyGJNXBNATEDXMAK-RXXWGPEVSA-N
Canonical SMILESCCNC(=NCCCCC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN=C(NCC)NCC)C(=O)N1CCCC1C(=O)NC
(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CN=CC=C3)NC(=O)
C(CC4=CC=C(C=C4)Cl)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C)NCC    
Isomeric SMILESCCNC(=NCCCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)
N1CCCC1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H](CC2=CC=C(C=C2)O)NC(=O)[C@@H]
(CO)NC(=O)[C@H](CC3=CN=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)Cl)NC(=O)C(CC5=
CC6=CC=CC=C6C=C5)NC(=O)C)NCC
Therapeutic ClassAbortifacient Agents
CAS NumberCAS 123246-29-7
FormulaC80H113ClN18O13
PubChem Compound IDCID 16130966.
PubChem Substance IDSID 700328.
SuperDrug ATC IDH01CC01
SuperDrug CAS ID124904934;
TargetGonadotropin-releasing hormone receptorAntagonist[2]
Ref 1Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20. To Reference
Ref 2Age attenuates testosterone secretion driven by amplitude-varying pulses of recombinant human luteinizing hormone during acute gonadotrope inhibition in healthy men. J Clin Endocrinol Metab. 2007 Sep;92(9):3626-32. Epub 2007 Jun 19. To Reference



 

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